Cas no 887409-80-5 (Ethyl 2-isopropyl-4-trifluoromethyl-5-pyrimidine carboxylate)
887409-80-5 structure
Product Name:Ethyl 2-isopropyl-4-trifluoromethyl-5-pyrimidine carboxylate
CAS No:887409-80-5
MF:C11H13F3N2O2
MW:262.228333234787
CID:2622457
PubChem ID:22831783
Update Time:2025-04-21
Ethyl 2-isopropyl-4-trifluoromethyl-5-pyrimidine carboxylate Chemical and Physical Properties
Names and Identifiers
-
- STDWVTPNEYHXDE-UHFFFAOYSA-N
- ethyl 2-isopropyl-4-trifluoromethyl-5-pyrimidine carboxylate
- 887409-80-5
- Ethyl 2-isopropyl-4-trifluoromethyl-5-pyrimidine carboxylate
-
- Inchi： 1S/C11H13F3N2O2/c1-4-18-10(17)7-5-15-9(6(2)3)16-8(7)11(12,13)14/h5-6H,4H2,1-3H3
- InChI Key： STDWVTPNEYHXDE-UHFFFAOYSA-N
- SMILES： FC(C1=C(C(=O)OCC)C=NC(C(C)C)=N1)(F)F
Computed Properties
- Exact Mass: 262.09291215Da
- Monoisotopic Mass: 262.09291215Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 52.1?2
Ethyl 2-isopropyl-4-trifluoromethyl-5-pyrimidine carboxylate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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